CID 10905633

C22H28FeN2O2+2 — CID 10905633

IUPAC—
SMILESCC(C)[C@H]1COC([C]2[CH][CH][CH][CH]2)=N1.CC(C)[C@H]1COC([C]2[CH][CH][CH][CH]2)=N1.[Fe+2]
InChIInChI=1S/2C11H14NO.Fe/c2*1-8(2)10-7-13-11(12-10)9-5-3-4-6-9;/h2*3-6,8,10H,7H2,1-2H3;/q;;+2/t2*10-;/m11./s1
InChIKeyYEAFDBQSKVAJIX-KCONRHHUSA-N
MW408.32 g/mol
LogP3.69
Rot. Bonds4

About CID 10905633

CID 10905633 (PubChem CID 10905633) has the molecular formula C22H28FeN2O2+2 and a molecular weight of 408.32 g/mol.

Molecular Properties

Compound NameCID 10905633
PubChem CID10905633
Molecular FormulaC22H28FeN2O2+2
Molecular Weight408.32 g/mol
Exact Mass408.15
IUPAC Name—
SMILESCC(C)[C@H]1COC([C]2[CH][CH][CH][CH]2)=N1.CC(C)[C@H]1COC([C]2[CH][CH][CH][CH]2)=N1.[Fe+2]
InChIInChI=1S/2C11H14NO.Fe/c2*1-8(2)10-7-13-11(12-10)9-5-3-4-6-9;/h2*3-6,8,10H,7H2,1-2H3;/q;;+2/t2*10-;/m11./s1
InChIKeyYEAFDBQSKVAJIX-KCONRHHUSA-N
XLogP3.69
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 10905633?
The IUPAC name of CID 10905633 (CID 10905633) is not available.
What is the SMILES notation for CID 10905633?
The canonical SMILES for CID 10905633 is CC(C)[C@H]1COC([C]2[CH][CH][CH][CH]2)=N1.CC(C)[C@H]1COC([C]2[CH][CH][CH][CH]2)=N1.[Fe+2].
What is the InChIKey of CID 10905633?
The InChIKey is YEAFDBQSKVAJIX-KCONRHHUSA-N. The full InChI is InChI=1S/2C11H14NO.Fe/c2*1-8(2)10-7-13-11(12-10)9-5-3-4-6-9;/h2*3-6,8,10H,7H2,1-2H3;/q;;+2/t2*10-;/m11./s1.
What are the key properties of CID 10905633?
CID 10905633 has a molecular weight of 408.32 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10905633 is sourced from PubChem (CID 10905633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).